Henry S. Rzepa

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David ScheschkewitzChair in General and Inorganic ChemistryVerified email at mx.uni-saarland.de
MJ HarveyImperial College LondonVerified email at imperial.ac.uk
Egon WillighagenTGX, NUTRIM, Maastricht University/NL, ORCID:0000-0001-7542-0286, https://social.edu.nl/@egonwVerified email at maastrichtuniversity.nl
Benjamin J WhitakerProfessor of Chemical Physics, University of LeedsVerified email at leeds.ac.uk
D. Christopher BraddockImperial College LondonVerified email at imperial.ac.uk
Sason ShaikProfessor of Chemistry, Institute of Chemistry, The Hebrew University of JerusalemVerified email at yfaat.ch.huji.ac.il
Julia Contreras-GarcíaCNRS & Sorbonne UniversitéVerified email at lct.jussieu.fr
Alexandra SlawinProfessor of Chemistry,University of St AndrewsVerified email at st-and.ac.uk
charlotte williamsUniversity of Oxford, ChemistryVerified email at chem.ox.ac.uk
Michael McKeeAuburn UniversityVerified email at auburn.edu
Georgios GkoutosUniversity of Birmingham, College of Medical and Dental SciencesVerified email at bham.ac.uk
Christoph SteinbeckFriedrich-Schiller-University JenaVerified email at uni-jena.de
Yong ZhangBNRist/Research Institute of Information Technology, Tsinghua UniversityVerified email at tsinghua.edu.cn
David DanovichInstitute of Chemistry, The Hebrew UniversityVerified email at mail.huji.ac.il
Howard BroughtonLilly, S.A.Verified email at lilly.com
David O'HaganUniversity of St AndrewsVerified email at st-andrews.ac.uk
Claire E. WestonImperial College LondonVerified email at imperial.ac.uk
Dr Paul DingwallLecturer in Physical Organic Chemistry, Queen's University BelfastVerified email at qub.ac.uk
Andrew WhitingProfessor of Chemistry, Durham UniversityVerified email at durham.ac.uk
Patrick BultinckGhent University - UGentVerified email at UGent.be

Henry S. Rzepa

Emeritus Professor of Computational Chemistry, Imperial College London

Verified email at imperial.ac.uk - Homepage

Chemistry


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The Blue Obelisk—interoperability in chemical informatics R Guha, MT Howard, GR Hutchison, P Murray-Rust, H Rzepa, ... Journal of chemical information and modeling 46 (3), 991-998, 2006	496	2006
MNDO parameters for third period elements MJS Dewar, ML McKee, HS Rzepa Journal of the American Chemical Society 100 (11), 3607-3607, 1978	452	1978
Some influences of fluorine in bioorganic chemistry HS Rzepa Chemical Communications, 645-652, 1997	383	1997
Möbius aromaticity and delocalization HS Rzepa Chemical reviews 105 (10), 3697-3715, 2005	353	2005
Tuning azoheteroarene photoswitch performance through heteroaryl design J Calbo, CE Weston, AJP White, HS Rzepa, J Contreras-García, ... Journal of the American Chemical Society 139 (3), 1261-1274, 2017	340	2017
Chemical markup, XML, and the Worldwide Web. 1. Basic principles P Murray-Rust, HS Rzepa Journal of Chemical Information and Computer Sciences 39 (6), 928-942, 1999	301	1999
Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin (II) Initiators for the Polymerization of r ac-Lactide AP Dove, VC Gibson, EL Marshall, HS Rzepa, AJP White, DJ Williams Journal of the American Chemical Society 128 (30), 9834-9843, 2006	268	2006
A tricyclic aromatic isomer of hexasilabenzene K Abersfelder, AJP White, HS Rzepa, D Scheschkewitz science 327 (5965), 564-566, 2010	258	2010
Quadruple bonding in C₂ and analogous eight-valence electron species S Shaik, D Danovich, W Wu, P Su, HS Rzepa, PC Hiberty Nature chemistry 4 (3), 195-200, 2012	247	2012
A Computational Analysis of the Ring-Opening Polymerization of r ac-Lactide Initiated by Single-Site β-Diketiminate Metal Complexes: Defining the Mechanistic Pathway and the … EL Marshall, VC Gibson, HS Rzepa Journal of the American Chemical Society 127 (16), 6048-6051, 2005	231	2005
Chemoselective polymerizations from mixtures of epoxide, lactone, anhydride, and carbon dioxide C Romain, Y Zhu, P Dingwall, S Paul, HS Rzepa, A Buchard, CK Williams Journal of the American Chemical Society 138 (12), 4120-4131, 2016	227	2016
Ground states of molecules. 40. MNDO results for molecules containing fluorine MJS Dewar, HS Rzepa Journal of the American Chemical Society 100 (1), 58-67, 1978	222	1978
The Houk–List transition states for organocatalytic mechanisms revisited A Armstrong, RA Boto, P Dingwall, J Contreras-Garcia, MJ Harvey, ... Chemical Science 5 (5), 2057-2071, 2014	187	2014
Crocker, not Armit and Robinson, begat the six aromatic electrons AT Balaban, PR Schleyer, HS Rzepa Chemical Reviews 105 (10), 3436-3447, 2005	177	2005
Chemical markup, XML, and the World Wide Web. 4. CML schema P Murray-Rust, HS Rzepa Journal of chemical information and computer sciences 43 (3), 757-772, 2003	158	2003
Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst MR Crittall, HS Rzepa, DR Carbery Organic Letters 13 (5), 1250-1253, 2011	156	2011
A stable derivative of the global minimum on the Si6H6 potential energy surface K Abersfelder, AJP White, RJF Berger, HS Rzepa, D Scheschkewitz Angewandte Chemie International Edition 50 (34), 7936-7939, 2011	155	2011
Ground states of molecules. 49. MINDO/3 study of the retro-Diels-Alder reaction of cyclohexene MJS Dewar, S Olivella, HS Rzepa Journal of the American Chemical Society 100 (18), 5650-5659, 1978	155	1978
Ground states of molecules. 45. MNDO results for molecules containing beryllium MJS Dewar, HS Rzepa Journal of the American Chemical Society 100 (3), 777-784, 1978	155	1978
One molecule, two atoms, three views, four bonds? S Shaik, HS Rzepa, R Hoffmann Angewandte Chemie International Edition 52 (10), 2013	152	2013

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